Information card for entry 2006378

Structure parameters

• Formula: C13 H17 N3 O5
• Calculated formula: C13 H17 N3 O5
• SMILES: COCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)n2c1ncc2
• Title of publication: 3,4-Etheno-5-methoxymethyl-2'-deoxycytidine
• Authors of publication: Audette, Gerald F.; Zoghaib, Wajdi M.; Tourigny, Guy; Gupta, Sagar V.; Delbaere, Louis T. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1099 - 1101
• a: 7.122 ± 0.002 Å
• b: 18.113 ± 0.004 Å
• c: 10.389 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1340.2 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for all reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for significantly intense reflections: 1.43
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No